N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridine-2-carboxamide
Formula:C20H15N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridine-2-carboxamide |
| MolecularFormula | C20H15N4O4Br |
| Smiles | [O-][N+](c(cc1)cnc1C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C20H15BrN4O4/c21-16-5-1-15(2-6-16)13-29-18-8-3-14(4-9-18)11-23-24-20(26)19-10-7-17(12-22-19)25(27)28/h1-12H,13H2,(H,24,26) |
| InChIK | JZQXZEKBCDDGQI-UHFFFAOYSA-N |
| TotalMolweight | 455.267 |
| Molweight | 455.267 |
| MonoisotopicMass | 454.027667 |
| CLogP | 3.4064 |
| CLogS | -5.585 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 311.57 |
| Relative PSA | 0.28051 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -2.9057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridine-2-carboxamide | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridine-2-carboxamide
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